Geometry & MOs

Info

ID:	333181
PubChem CID:	127251729
Reduced:	FO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	5.35
IP(EA), eV:	-8.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=NNC(=C2)C3CCN(C3)CC4=CC=CC=C4F

DOS

IR

Vibrations